SCHEMBL9103419

SCHEMBL9103419

N#Cc1ccc(N2C(=O)CCC2C(=O)O)nc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.57
CNR1 P21554 2/20 0.57
IDH1 O75874 1/20 0.43
CYP11B2 P19099 1/20 0.42
PANK3 Q9H999 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRM5 P41594 6/20 0.39
GPR119 Q8TDV5 1/20 0.38
DPP4 P27487 2/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP7 Q9UHL4 1/20 0.38
USP30 Q70CQ3 1/20 0.38
CHRM4 P08173 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15122880 0.81 IDH1 (0.49) IDH1
SCHEMBL15122882 0.81 IDH1 (0.49) IDH1
SCHEMBL9893014 0.80 CNR1 (0.50) CNR2CNR1CYP11B2PANK3KDM4E
SCHEMBL9105776 0.80 P2RX7 (0.43) CNR2CNR1KDM4EALDH1A1
SCHEMBL9110156 0.80 P2RX7 (0.43) CNR2CNR1KDM4EALDH1A1
SCHEMBL2571392 0.80 CNR2 (0.41) CNR2CNR1IDH1ALDH1A1GRM5
SCHEMBL9107192 0.80 NPC1 (0.44) CNR2CNR1KDM4EGPR119
SCHEMBL9107658 0.80 NPC1 (0.44) CNR2CNR1KDM4EGPR119
SCHEMBL2571390 0.80 CNR2 (0.41) CNR2CNR1IDH1ALDH1A1GRM5
SCHEMBL9109062 0.80 CNR2 (0.53) CNR2CNR1CYP11B2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885IDH1 4245/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.